2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone

C19H27F2N3O3S — CID 8796632

IUPAC2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H27F2N3O3S/c1-14-4-3-5-15(2)24(14)19(25)13-22-8-10-23(11-9-22)28(26,27)18-12-16(20)6-7-17(18)21/h6-7,12,14-15H,3-5,8-11,13H2,1-2H3/t14-,15+
InChIKeyKPQONAXITKCJGW-GASCZTMLSA-N
MW415.51 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 8796632) has the molecular formula C19H27F2N3O3S and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID8796632
Molecular FormulaC19H27F2N3O3S
Molecular Weight415.51 g/mol
Exact Mass415.17
IUPAC Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H27F2N3O3S/c1-14-4-3-5-15(2)24(14)19(25)13-22-8-10-23(11-9-22)28(26,27)18-12-16(20)6-7-17(18)21/h6-7,12,14-15H,3-5,8-11,13H2,1-2H3/t14-,15+
InChIKeyKPQONAXITKCJGW-GASCZTMLSA-N
XLogP2.06
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 8796602
ethyl 2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetate
CID 52788016
N-tert-butyl-2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843472
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8796871
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 134038724
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 39626456
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone (CID 8796632) is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is KPQONAXITKCJGW-GASCZTMLSA-N. The full InChI is InChI=1S/C19H27F2N3O3S/c1-14-4-3-5-15(2)24(14)19(25)13-22-8-10-23(11-9-22)28(26,27)18-12-16(20)6-7-17(18)21/h6-7,12,14-15H,3-5,8-11,13H2,1-2H3/t14-,15+.
What are the key properties of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 415.51 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 8796632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).